LMPK12130061
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0  0  0  0  0  0  0  0999 V2000
    9.3292    7.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    8.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6437    7.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4722    6.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2291    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1576    6.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1670    7.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9279    8.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9424    8.9227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8368    7.5831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9561    8.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5926    9.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0724    8.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0323    8.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5122    9.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0323   10.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0724   10.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7714    8.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4937    6.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9279    9.8419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3551   10.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20  4  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130061

> <COMMON_NAME>
Castillene A

> <SYSTEMATIC_NAME>
2-Methoxy-2-(phenylmethyl)benzo[1,2-b:3,4-b']difuran-3(2H)-one

> <FORMULA>
C18H14O4

> <MASS>
294.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZDPDYRQJYGVUMW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O4/c1-20-18(11-12-5-3-2-4-6-12)17(19)14-7-8-15-13(9-10-21-15)16(14)22-18/h2-10H,11H2,1H3

> <SMILES>
C12C(=O)C(OC)(CC3C=CC=CC=3)OC=1C1C=COC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184450

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14484592

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1959022

> <CITATION>
-

$$$$